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Blind prediction of distribution in the SAMPL5 challenge with QM based protomer and pK a corrections
Frank C. Pickard, Gerhard König, Florentina Tofoleanu, Juyong Lee, Andrew C. Simmonett, Yihan Shao, Jay W. Ponder, Bernard R. Brooks
Research output: Contribution to journal › Article › peer-review
25
Scopus
citations